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Berlin 2005 – scientific programme

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DY: Dynamik und Statistische Physik

DY 34: Poster

DY 34.17: Poster

Monday, March 7, 2005, 15:30–18:00, Poster TU D

Identification of Ion Sites in Glasses — •Christian Müller1, Hartmut Grille1, Junko Habasaki2, and Philipp Maass11Institut für Physik, Technische Universität Ilmenau, Germany — 2Tokyo Institute of Technology, Japan

To understand the dynamics of ions in glasses from a microscopic viewpoint it is necessary to identify and to characterise the available sites for the mobile ions in the glassy network. Efforts in this direction have been undertaken by means of molecular dynamic simulations. In these simulations it has been counted how many times a cell within the simulation box is visited by a mobile ion within a given (large) time period [1]. Using this procedure ion sites as well as their occupation probabilities are obtained. Here we focus on the question if it is possible to identify these sites on the basis of equilibrium configurations. Therefore we analyze the ionic potential energy surface with respect to the minima and their connectivity features.
[1] J. Habasaki and Y. Hiwatari, Phys. Rev. B 69, 144207 (2004)

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